Geometry & MOs

Info

ID:	237527
PubChem CID:	92719491
Reduced:	FSO3N6C21H21 (1)
Stoich.:	ABC3D6E21F21 (1)
Weight, g/mol:	444.255898
ΔH_f, kcal/mol:	-58.29
Dipole, Da:	2.37
IP(EA), eV:	-9.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2[C@@H]1C3=CC=C(C=C3)F)CC(=O)NC4=NC=C(S4)C)C

DOS

IR

Vibrations